Alpha-halocarboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to a halogen group in the alpha position; halogen groups consist of one or more halogen atoms (F, Cl, B, I, At). Includes compounds that are derived from alpha-halocarboxylic acids.

1 – 15 of 429 results

LiChropur™ Difluoroacetic Acid, MilliporeSigma™ Supelco™

CAS: 381-73-7 Molecular Formula: C2H2F2O2 Molecular Weight (g/mol): 96.03 MDL Number: MFCD00004220 InChI Key: PBWZKZYHONABLN-UHFFFAOYSA-N Synonym: DFA IUPAC Name: 2,2-difluoroacetic acid SMILES: OC(=O)C(F)F

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CAS	381-73-7
Molecular Weight (g/mol)	96.03
MDL Number	MFCD00004220
SMILES	OC(=O)C(F)F
Synonym	DFA
IUPAC Name	2,2-difluoroacetic acid
InChI Key	PBWZKZYHONABLN-UHFFFAOYSA-N
Molecular Formula	C2H2F2O2

Ethyl fluoroacetate, 98%, Thermo Scientific Chemicals

CAS: 459-72-3 Molecular Formula: C4H7FO2 Molecular Weight (g/mol): 106.096 MDL Number: MFCD00000450 InChI Key: VCYZVXRKYPKDQB-UHFFFAOYSA-N Synonym: ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester PubChem CID: 9988 IUPAC Name: ethyl 2-fluoroacetate SMILES: CCOC(=O)CF

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PubChem CID	9988
CAS	459-72-3
Molecular Weight (g/mol)	106.096
MDL Number	MFCD00000450
SMILES	CCOC(=O)CF
Synonym	ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester
IUPAC Name	ethyl 2-fluoroacetate
InChI Key	VCYZVXRKYPKDQB-UHFFFAOYSA-N
Molecular Formula	C4H7FO2

Ethyl chloroacetate, 99%, Thermo Scientific Chemicals

CAS: 105-39-5 Molecular Formula: C4H7ClO2 Molecular Weight (g/mol): 122.548 MDL Number: MFCD00000932 InChI Key: VEUUMBGHMNQHGO-UHFFFAOYSA-N Synonym: ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf PubChem CID: 7751 IUPAC Name: ethyl 2-chloroacetate SMILES: CCOC(=O)CCl

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PubChem CID	7751
CAS	105-39-5
Molecular Weight (g/mol)	122.548
MDL Number	MFCD00000932
SMILES	CCOC(=O)CCl
Synonym	ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf
IUPAC Name	ethyl 2-chloroacetate
InChI Key	VEUUMBGHMNQHGO-UHFFFAOYSA-N
Molecular Formula	C4H7ClO2

Ethyl 2,3-dibromopropionate, 97%, Thermo Scientific Chemicals

CAS: 3674-13-3 Molecular Formula: C5H8Br2O2 Molecular Weight (g/mol): 259.925 MDL Number: MFCD00000212 InChI Key: OENICUBCLXKLJQ-UHFFFAOYSA-N PubChem CID: 97945 IUPAC Name: ethyl 2,3-dibromopropanoate SMILES: CCOC(=O)C(CBr)Br

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PubChem CID	97945
CAS	3674-13-3
Molecular Weight (g/mol)	259.925
MDL Number	MFCD00000212
SMILES	CCOC(=O)C(CBr)Br
IUPAC Name	ethyl 2,3-dibromopropanoate
InChI Key	OENICUBCLXKLJQ-UHFFFAOYSA-N
Molecular Formula	C5H8Br2O2

(+/-)-2-Chloropropionic acid, 94%, Thermo Scientific Chemicals

CAS: 598-78-7 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.52 MDL Number: MFCD00004224 InChI Key: GAWAYYRQGQZKCR-UHFFFAOYNA-N Synonym: 2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro PubChem CID: 11734 IUPAC Name: 2-chloropropanoic acid SMILES: CC(Cl)C(O)=O

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PubChem CID	11734
CAS	598-78-7
Molecular Weight (g/mol)	108.52
MDL Number	MFCD00004224
SMILES	CC(Cl)C(O)=O
Synonym	2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro
IUPAC Name	2-chloropropanoic acid
InChI Key	GAWAYYRQGQZKCR-UHFFFAOYNA-N
Molecular Formula	C3H5ClO2

Ethyl fluoroacetate, 97%, Thermo Scientific Chemicals

CAS: 459-72-3 Molecular Formula: C₄H₇FO₂ Molecular Weight (g/mol): 106.1 MDL Number: MFCD00000450 InChI Key: VCYZVXRKYPKDQB-UHFFFAOYSA-N Synonym: ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester PubChem CID: 9988 IUPAC Name: ethyl 2-fluoroacetate SMILES: CCOC(=O)CF

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Specifications

PubChem CID	9988
CAS	459-72-3
Molecular Weight (g/mol)	106.1
MDL Number	MFCD00000450
SMILES	CCOC(=O)CF
Synonym	ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester
IUPAC Name	ethyl 2-fluoroacetate
InChI Key	VCYZVXRKYPKDQB-UHFFFAOYSA-N
Molecular Formula	C₄H₇FO₂

tert-Butyl bromoacetate, 99%, Thermo Scientific Chemicals

CAS: 5292-43-3 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000188 InChI Key: BNWCETAHAJSBFG-UHFFFAOYSA-N Synonym: tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat PubChem CID: 79177 IUPAC Name: tert-butyl 2-bromoacetate SMILES: CC(C)(C)OC(=O)CBr

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Specifications

PubChem CID	79177
CAS	5292-43-3
Molecular Weight (g/mol)	195.06
MDL Number	MFCD00000188
SMILES	CC(C)(C)OC(=O)CBr
Synonym	tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat
IUPAC Name	tert-butyl 2-bromoacetate
InChI Key	BNWCETAHAJSBFG-UHFFFAOYSA-N
Molecular Formula	C6H11BrO2

Trifluoroacetic anhydride, 99+%, Thermo Scientific Chemicals

CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F

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PubChem CID	9845
CAS	407-25-0
Molecular Weight (g/mol)	210.03
MDL Number	MFCD00000416
SMILES	FC(F)(F)C(=O)OC(=O)C(F)(F)F
Synonym	trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove
InChI Key	QAEDZJGFFMLHHQ-UHFFFAOYSA-N
Molecular Formula	C4F6O3

Bromoacetic acid, 98+%, Thermo Scientific Chemicals

CAS: 79-08-3 Molecular Formula: C2H3BrO2 Molecular Weight (g/mol): 138.948 MDL Number: MFCD00002678 InChI Key: KDPAWGWELVVRCH-UHFFFAOYSA-N Synonym: bromoacetic acid,monobromoacetic acid,bromoethanoic acid,acetic acid, bromo,to ntu,bromoacetate ion,acide bromacetique,2-bromoacetyl group,2-bromoethanoic acid,acetic acid, 2-bromo PubChem CID: 6227 IUPAC Name: 2-bromoacetic acid SMILES: C(C(=O)O)Br

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PubChem CID	6227
CAS	79-08-3
Molecular Weight (g/mol)	138.948
MDL Number	MFCD00002678
SMILES	C(C(=O)O)Br
Synonym	bromoacetic acid,monobromoacetic acid,bromoethanoic acid,acetic acid, bromo,to ntu,bromoacetate ion,acide bromacetique,2-bromoacetyl group,2-bromoethanoic acid,acetic acid, 2-bromo
IUPAC Name	2-bromoacetic acid
InChI Key	KDPAWGWELVVRCH-UHFFFAOYSA-N
Molecular Formula	C2H3BrO2

Ethyl 2-bromopropionate, 98+%, Thermo Scientific Chemicals

CAS: 535-11-5 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00000144 InChI Key: ARFLASKVLJTEJD-UHFFFAOYNA-N Synonym: ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate PubChem CID: 79040 IUPAC Name: ethyl 2-bromopropanoate SMILES: CCOC(=O)C(C)Br

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Specifications

PubChem CID	79040
CAS	535-11-5
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00000144
SMILES	CCOC(=O)C(C)Br
Synonym	ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate
IUPAC Name	ethyl 2-bromopropanoate
InChI Key	ARFLASKVLJTEJD-UHFFFAOYNA-N
Molecular Formula	C5H9BrO2

Diethyl bromomalonate, 90+%, Thermo Scientific Chemicals

CAS: 685-87-0 Molecular Formula: C7H11BrO4 Molecular Weight (g/mol): 239.065 MDL Number: MFCD00009138 InChI Key: FNJVDWXUKLTFFL-UHFFFAOYSA-N Synonym: diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester PubChem CID: 69637 IUPAC Name: diethyl 2-bromopropanedioate SMILES: CCOC(=O)C(C(=O)OCC)Br

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PubChem CID	69637
CAS	685-87-0
Molecular Weight (g/mol)	239.065
MDL Number	MFCD00009138
SMILES	CCOC(=O)C(C(=O)OCC)Br
Synonym	diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester
IUPAC Name	diethyl 2-bromopropanedioate
InChI Key	FNJVDWXUKLTFFL-UHFFFAOYSA-N
Molecular Formula	C7H11BrO4

Ethyl difluoroacetate, 98%, Thermo Scientific Chemicals

CAS: 454-31-9 Molecular Formula: C4H6F2O2 Molecular Weight (g/mol): 124.087 MDL Number: MFCD00013578 InChI Key: GZKHDVAKKLTJPO-UHFFFAOYSA-N Synonym: ethyl difluoroacetate,acetic acid, difluoro-, ethyl ester,difluoroacetic acid ethyl ester,ethyldifluoroacetate,ethyl difluoroacetic,ethyl difluoro acetate,difluoro-acetic acid ethyl ester,ethyl difluoroacetic acid,acetic acid, 2,2-difluoro-, ethyl ester,ethyldifluoracetat PubChem CID: 9961 IUPAC Name: ethyl 2,2-difluoroacetate SMILES: CCOC(=O)C(F)F

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PubChem CID	9961
CAS	454-31-9
Molecular Weight (g/mol)	124.087
MDL Number	MFCD00013578
SMILES	CCOC(=O)C(F)F
Synonym	ethyl difluoroacetate,acetic acid, difluoro-, ethyl ester,difluoroacetic acid ethyl ester,ethyldifluoroacetate,ethyl difluoroacetic,ethyl difluoro acetate,difluoro-acetic acid ethyl ester,ethyl difluoroacetic acid,acetic acid, 2,2-difluoro-, ethyl ester,ethyldifluoracetat
IUPAC Name	ethyl 2,2-difluoroacetate
InChI Key	GZKHDVAKKLTJPO-UHFFFAOYSA-N
Molecular Formula	C4H6F2O2

Chloroacetic acid, 99%, Thermo Scientific Chemicals

CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.494 MDL Number: MFCD00002683 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC Name: 2-chloroacetic acid SMILES: C(C(=O)O)Cl

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PubChem CID	300
CAS	79-11-8
Molecular Weight (g/mol)	94.494
ChEBI	CHEBI:27869
MDL Number	MFCD00002683
SMILES	C(C(=O)O)Cl
Synonym	chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
IUPAC Name	2-chloroacetic acid
InChI Key	FOCAUTSVDIKZOP-UHFFFAOYSA-N
Molecular Formula	C2H3ClO2

Ethyl oxalyl chloride, 98%, Thermo Scientific Chemicals

CAS: 4755-77-5 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.531 MDL Number: MFCD00000706 InChI Key: OWZFULPEVHKEKS-UHFFFAOYSA-N Synonym: ethyl chlorooxoacetate,ethyl oxalyl chloride,ethyl chloroglyoxylate,ethoxalyl chloride,ethyl oxalyl monochloride,acetic acid, chlorooxo-, ethyl ester,oxalic acid monoethyl ester chloride,monoethyl oxaloyl chloride,oxalyl chloride, ethyl ester,ethyl chlorocarbonyl formate PubChem CID: 20884 IUPAC Name: ethyl 2-chloro-2-oxoacetate SMILES: CCOC(=O)C(=O)Cl

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Specifications

PubChem CID	20884
CAS	4755-77-5
Molecular Weight (g/mol)	136.531
MDL Number	MFCD00000706
SMILES	CCOC(=O)C(=O)Cl
Synonym	ethyl chlorooxoacetate,ethyl oxalyl chloride,ethyl chloroglyoxylate,ethoxalyl chloride,ethyl oxalyl monochloride,acetic acid, chlorooxo-, ethyl ester,oxalic acid monoethyl ester chloride,monoethyl oxaloyl chloride,oxalyl chloride, ethyl ester,ethyl chlorocarbonyl formate
IUPAC Name	ethyl 2-chloro-2-oxoacetate
InChI Key	OWZFULPEVHKEKS-UHFFFAOYSA-N
Molecular Formula	C4H5ClO3

Ethyl bromofluoroacetate, 97%, Thermo Scientific Chemicals

CAS: 401-55-8 Molecular Formula: C4H6BrFO2 Molecular Weight (g/mol): 184.992 MDL Number: MFCD00042095 InChI Key: ULNDTPIRBQGESN-UHFFFAOYSA-N Synonym: ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t PubChem CID: 2733407 IUPAC Name: ethyl 2-bromo-2-fluoroacetate SMILES: CCOC(=O)C(F)Br

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Specifications

PubChem CID	2733407
CAS	401-55-8
Molecular Weight (g/mol)	184.992
MDL Number	MFCD00042095
SMILES	CCOC(=O)C(F)Br
Synonym	ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t
IUPAC Name	ethyl 2-bromo-2-fluoroacetate
InChI Key	ULNDTPIRBQGESN-UHFFFAOYSA-N
Molecular Formula	C4H6BrFO2

Alpha-halocarboxylic acids and derivatives

Alpha-halocarboxylic acids and derivatives

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